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L-Valine, N-(3-trifluoromethylbenzoyl)-, pentyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(3-trifluoromethylbenzoyl)-, pentyl ester
SpectraBase Compound ID DmjrksCHPr9
InChI InChI=1S/C18H24F3NO3/c1-4-5-6-10-25-17(24)15(12(2)3)22-16(23)13-8-7-9-14(11-13)18(19,20)21/h7-9,11-12,15H,4-6,10H2,1-3H3,(H,22,23)
InChIKey RMRXYJAWYQVLDT-UHFFFAOYSA-N
Mol Weight 359.39 g/mol
Molecular Formula C18H24F3NO3
Exact Mass 359.170828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HoIaOKF3Cs0
Name L-Valine, N-(3-trifluoromethylbenzoyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 359.170828123 u
Formula C18H24F3NO3
InChI InChI=1S/C18H24F3NO3/c1-4-5-6-10-25-17(24)15(12(2)3)22-16(23)13-8-7-9-14(11-13)18(19,20)21/h7-9,11-12,15H,4-6,10H2,1-3H3,(H,22,23)
InChIKey RMRXYJAWYQVLDT-UHFFFAOYSA-N
Molecular Weight 359.389 g/mol
SMILES C(C1=CC=CC(=C1)C(NC(C(C)C)C(OCCCCC)=O)=O)(F)(F)F